3-diethoxyphosphorylprop-2-yn-1-amine

C7H14NO3P — CID 102521767

IUPAC3-diethoxyphosphorylprop-2-yn-1-amine
SMILESCCOP(=O)(C#CCN)OCC
InChIInChI=1S/C7H14NO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-4,6,8H2,1-2H3
InChIKeySZUMOBDUGSTBFN-UHFFFAOYSA-N
MW191.17 g/mol
LogP1.17
Rot. Bonds4

About 3-diethoxyphosphorylprop-2-yn-1-amine

3-diethoxyphosphorylprop-2-yn-1-amine (PubChem CID 102521767) has the molecular formula C7H14NO3P and a molecular weight of 191.17 g/mol. Its IUPAC name is 3-diethoxyphosphorylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-diethoxyphosphorylprop-2-yn-1-amine
PubChem CID102521767
Molecular FormulaC7H14NO3P
Molecular Weight191.17 g/mol
Exact Mass191.07
IUPAC Name3-diethoxyphosphorylprop-2-yn-1-amine
SMILESCCOP(=O)(C#CCN)OCC
InChIInChI=1S/C7H14NO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-4,6,8H2,1-2H3
InChIKeySZUMOBDUGSTBFN-UHFFFAOYSA-N
XLogP1.17
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-diethoxyphosphorylprop-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphorylprop-2-yn-1-amine?
The IUPAC name of 3-diethoxyphosphorylprop-2-yn-1-amine (CID 102521767) is 3-diethoxyphosphorylprop-2-yn-1-amine.
What is the SMILES notation for 3-diethoxyphosphorylprop-2-yn-1-amine?
The canonical SMILES for 3-diethoxyphosphorylprop-2-yn-1-amine is CCOP(=O)(C#CCN)OCC.
What is the InChIKey of 3-diethoxyphosphorylprop-2-yn-1-amine?
The InChIKey is SZUMOBDUGSTBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-4,6,8H2,1-2H3.
What are the key properties of 3-diethoxyphosphorylprop-2-yn-1-amine?
3-diethoxyphosphorylprop-2-yn-1-amine has a molecular weight of 191.17 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphorylprop-2-yn-1-amine is sourced from PubChem (CID 102521767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).